sodium 9,10-bis(oxidanylidene)-5-(propan-2-ylamino)anthracene-1-sulfonate

Systemtic Name: sodium 9,10-bis(oxidanylidene)-5-(propan-2-ylamino)anthracene-1-sulfonate Openeye Name: sodium 5-(isopropylamino)-9,10-dioxo-anthracene-1-sulfonate CAS Name: sodium 9,10-dioxo-5-(propan-2-ylamino)-1-anthracenesulfonate IUPAC Name: sodium 9,10-dioxo-5-(propan-2-ylamino)anthracene-1-sulfonate Traditional Name: sodium 5-(isopropylamino)-9,10-diketo-anthracene-1-sulfonate Formula: C17H14NNaO5S MolecularWeight: 367.35153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)NC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H15NO5S.Na/c1-9(2)18-12-7-3-5-10-14(12)16(19)11-6-4-8-13(24(21,22)23)15(11)17(10)20;/h3-9,18H,1-2H3,(H,21,22,23);/q;+1/p-1